1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea

C25H29N7O3 — CID 89210298

IUPAC1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea
SMILESC=C(Nc1cnccc1N1CCNCC1)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C25H29N7O3/c1-17(28-21-16-27-10-9-22(21)32-13-11-26-12-14-32)19-5-4-6-24(29-19)31-25(33)30-20-15-18(34-2)7-8-23(20)35-3/h4-10,15-16,26,28H,1,11-14H2,2-3H3,(H2,29,30,31,33)
InChIKeyLMSJXXRMBIRSAD-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.63
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea

1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea (PubChem CID 89210298) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea
PubChem CID89210298
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea
SMILESC=C(Nc1cnccc1N1CCNCC1)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C25H29N7O3/c1-17(28-21-16-27-10-9-22(21)32-13-11-26-12-14-32)19-5-4-6-24(29-19)31-25(33)30-20-15-18(34-2)7-8-23(20)35-3/h4-10,15-16,26,28H,1,11-14H2,2-3H3,(H2,29,30,31,33)
InChIKeyLMSJXXRMBIRSAD-UHFFFAOYSA-N
XLogP3.63
TPSA112.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25176017
6-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174567
5,6-dimethoxy-2-[4-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-1,3-thiazol-2-yl]-3H-isoindol-1-one;ethane
CID 143665944
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 143750719
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569538
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63642574
2-(7-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24952335
2-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569478
2-[5-methoxy-6-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569232
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea (CID 89210298) is 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea is C=C(Nc1cnccc1N1CCNCC1)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea?
The InChIKey is LMSJXXRMBIRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-17(28-21-16-27-10-9-22(21)32-13-11-26-12-14-32)19-5-4-6-24(29-19)31-25(33)30-20-15-18(34-2)7-8-23(20)35-3/h4-10,15-16,26,28H,1,11-14H2,2-3H3,(H2,29,30,31,33).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea?
1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea has a molecular weight of 475.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea is sourced from PubChem (CID 89210298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).